3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione

C16H20N4O3 — CID 170027641

IUPAC3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
SMILESCNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12
InChIInChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22)
InChIKeyNNLAJIOGHJYXSX-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.24
Rot. Bonds5

About 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione

3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione (PubChem CID 170027641) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
PubChem CID170027641
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
SMILESCNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12
InChIInChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22)
InChIKeyNNLAJIOGHJYXSX-UHFFFAOYSA-N
XLogP1.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[1-methyl-7-[[(2S)-pyrrolidin-2-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629913
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629752
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
CID 172587109
3-[1-methyl-7-[3-(piperidin-4-ylmethyl)azetidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432760
3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
CID 170023276
8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
CID 170433167
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
3-[7-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434301
3-[7-[4-[(2R)-5-cyclohexylpentan-2-yl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632812

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione (CID 170027641) is 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione is CNc1cccc2c(C3CCC(=O)NC3=O)nn(CCOC)c12.
What is the InChIKey of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is NNLAJIOGHJYXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-17-12-5-3-4-10-14(11-6-7-13(21)18-16(11)22)19-20(15(10)12)8-9-23-2/h3-5,11,17H,6-9H2,1-2H3,(H,18,21,22).
What are the key properties of 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione?
3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 316.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).